1.02011-09-26 22:55:05 UTC2015-07-21 07:00:36 UTCFDB029718methyl-(E)-geranateFlavouring compound [Flavornet]C11H18O2182.263182.13067982methyl 3,7-dimethylocta-2,6-dienoatemethyl 3,7-dimethylocta-2,6-dienoate1189-09-9COC(=O)C=C(C)CCC=C(C)CInChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3ACOBBFVLNKYODD-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.Acyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic acyclic compoundsCarbonyl compoundsEnoate estersFatty acid estersHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesAcyclic monoterpenoidAliphatic acyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEnoate esterFatty acid esterFatty acylHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.67logs-2.69solubility3.76e-01 g/llogp3.2pka_strongest_basic-6.8iupacmethyl 3,7-dimethylocta-2,6-dienoateaverage_mass182.263mono_mass182.13067982smilesCOC(=O)C=C(C)CCC=C(C)CformulaC11H18O2inchiInChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3inchikeyACOBBFVLNKYODD-UHFFFAOYSA-Npolar_surface_area26.3refractivity55.82polarizability21.76rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs91149Specdb::MsMs91150Specdb::MsMs91151Specdb::MsMs154479Specdb::MsMs154480Specdb::MsMs154481Specdb::MsMs3607249Specdb::MsMs3607250Specdb::MsMs3607251Specdb::MsMs3607252Specdb::MsMs3607253Specdb::MsMs3607254flowerfruitfruitygreenwaxy